2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide

C18H16BrClN2O — CID 38764960

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H16BrClN2O/c1-11-14(15-8-13(19)6-7-17(15)22-11)9-18(23)21-10-12-4-2-3-5-16(12)20/h2-8,22H,9-10H2,1H3,(H,21,23)
InChIKeyTWLQSSQWAPJOGB-UHFFFAOYSA-N
MW391.70 g/mol
LogP4.75
Rot. Bonds4

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 38764960) has the molecular formula C18H16BrClN2O and a molecular weight of 391.70 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID38764960
Molecular FormulaC18H16BrClN2O
Molecular Weight391.70 g/mol
Exact Mass390.01
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H16BrClN2O/c1-11-14(15-8-13(19)6-7-17(15)22-11)9-18(23)21-10-12-4-2-3-5-16(12)20/h2-8,22H,9-10H2,1H3,(H,21,23)
InChIKeyTWLQSSQWAPJOGB-UHFFFAOYSA-N
XLogP4.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.70
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 38756441
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
CID 38767316
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46588719

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide (CID 38764960) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide is Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is TWLQSSQWAPJOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O/c1-11-14(15-8-13(19)6-7-17(15)22-11)9-18(23)21-10-12-4-2-3-5-16(12)20/h2-8,22H,9-10H2,1H3,(H,21,23).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 391.70 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 38764960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).